(E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride

C3H3Cl3O2S — CID 114763842

IUPAC(E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C(Cl)=C\Cl
InChIInChI=1S/C3H3Cl3O2S/c4-1-3(5)2-9(6,7)8/h1H,2H2/b3-1+
InChIKeyMMDGHXGHDSGMDY-HNQUOIGGSA-N
MW209.48 g/mol
LogP1.87
Rot. Bonds2

About (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride

(E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride (PubChem CID 114763842) has the molecular formula C3H3Cl3O2S and a molecular weight of 209.48 g/mol. Its IUPAC name is (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride.

Molecular Properties

Compound Name(E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride
PubChem CID114763842
Molecular FormulaC3H3Cl3O2S
Molecular Weight209.48 g/mol
Exact Mass207.89
IUPAC Name(E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C/C(Cl)=C\Cl
InChIInChI=1S/C3H3Cl3O2S/c4-1-3(5)2-9(6,7)8/h1H,2H2/b3-1+
InChIKeyMMDGHXGHDSGMDY-HNQUOIGGSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.48
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Chloroprop-2-ene-1-sulfonyl chloride
CID 13971496
3-Chloroprop-1-ene-2-sulfonyl chloride
CID 55280037
3-Chloroprop-2-ene-1-sulfonyl chloride
CID 55280158
1-Chloroprop-2-ene-1-sulfonyl chloride
CID 21419212
2,3-Dichloroprop-2-ene-1-sulfinate
CID 56998237
CID 76223160
CID 76223160
(Z)-3-chloroprop-2-ene-1-sulfonyl chloride
CID 124603614
sodium (E)-2,3-dichloroprop-2-ene-1-sulfonate
CID 139720180
(E)-2,3-dichloroprop-2-ene-1-sulfonamide
CID 139720182
3-Chloroprop-1-ene-1-sulfonyl chloride
CID 173444363
2,3-Dichloroprop-2-ene-1-sulfinic acid
CID 56998238
CID 85727297
CID 85727297

Frequently Asked Questions

What is the IUPAC name of (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride?
The IUPAC name of (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride (CID 114763842) is (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride.
What is the SMILES notation for (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride?
The canonical SMILES for (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride is O=S(=O)(Cl)C/C(Cl)=C\Cl.
What is the InChIKey of (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride?
The InChIKey is MMDGHXGHDSGMDY-HNQUOIGGSA-N. The full InChI is InChI=1S/C3H3Cl3O2S/c4-1-3(5)2-9(6,7)8/h1H,2H2/b3-1+.
What are the key properties of (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride?
(E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride has a molecular weight of 209.48 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2,3-dichloroprop-2-ene-1-sulfonyl chloride is sourced from PubChem (CID 114763842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).